[(1r,4r)-4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methanamine hydrochloride

• ChemBase ID: 62305
• Molecular Formular: C14H20ClN5O
• Molecular Mass: 309.7945
• Monoisotopic Mass: 309.13563797
• SMILES: c1(oc(nn1)[C@@H]1CC[C@H](CC1)CN)c1ncc(nc1)C.Cl
• Canonical SMILES: NC[C@@H]1CC[C@H](CC1)c1nnc(o1)c1ncc(nc1)C.Cl
• InChI: InChI=1S/C14H19N5O.ClH/c1-9-7-17-12(8-16-9)14-19-18-13(20-14)11-4-2-10(6-15)3-5-11;/h7-8,10-11H,2-6,15H2,1H3;1H/t10-,11-
• InChIKey: BPWBZYOPVSWZQF-PFWPSKEQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1r,4r)-4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methanamine hydrochloride
• IUPAC Traditional name: [(1r,4r)-4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methanamine hydrochloride
• Synonyms: C-{4-[5-(5-Methyl-pyrazin-2-yl)-[1,3,4]oxadiazol-2-yl]-cyclohexyl}-methylamine hydrochloride

Database IDs

• MDL Number: MFCD21605899
• PubChem SID: 162028044
• PubChem CID: 71298647

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.90498
• LogD (pH = 7.4): -2.4940567
• Log P: 0.11931079
• Molar Refractivity: 85.6916 cm^3
• Polarizability: 29.320356 Å^3
• Polar Surface Area: 90.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false